2-(3,4-dimethylphenyl)-6-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one

Systemtic Name: 2-(3,4-dimethylphenyl)-6-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 6-(4-benzylsulfonyl-1,4-diazepan-1-yl)-2-(3,4-dimethylphenyl)pyridazin-3-one CAS Name: 2-(3,4-dimethylphenyl)-6-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridazinone IUPAC Name: 6-(4-benzylsulfonyl-1,4-diazepan-1-yl)-2-(3,4-dimethylphenyl)pyridazin-3-one Traditional Name: 6-(4-benzylsulfonyl-1,4-diazepan-1-yl)-2-(3,4-dimethylphenyl)pyridazin-3-one Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H28N4O3S/c1-19-9-10-22(17-20(19)2)28-24(29)12-11-23(25-28)26-13-6-14-27(16-15-26)32(30,31)18-21-7-4-3-5-8-21/h3-5,7-12,17H,6,13-16,18H2,1-2H3